7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H27N7O3 — CID 137413498

About 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide

7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 137413498) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 137413498
• Molecular Formula: C23H27N7O3
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.22
• IUPAC Name: 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: NC(=O)c1cccnc1OC1CCC(NC(=O)c2cnc3cc(N4CC(N)C4)ccn23)CC1
• InChI: InChI=1S/C23H27N7O3/c24-14-12-29(13-14)16-7-9-30-19(11-27-20(30)10-16)22(32)28-15-3-5-17(6-4-15)33-23-18(21(25)31)2-1-8-26-23/h1-2,7-11,14-15,17H,3-6,12-13,24H2,(H2,25,31)(H,28,32)
• InChIKey: YSRWDRQJBMSQDT-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 140.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 137413498) is 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cccnc1OC1CCC(NC(=O)c2cnc3cc(N4CC(N)C4)ccn23)CC1.

What is the InChIKey of 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is YSRWDRQJBMSQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c24-14-12-29(13-14)16-7-9-30-19(11-27-20(30)10-16)22(32)28-15-3-5-17(6-4-15)33-23-18(21(25)31)2-1-8-26-23/h1-2,7-11,14-15,17H,3-6,12-13,24H2,(H2,25,31)(H,28,32).

What are the key properties of 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 137413498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).